5-Bromo-2-fluoro-3-(trifluoromethyl)benzoic acid - CAS 1881295-62-0
Catalog: |
BB072037 |
Product Name: |
5-Bromo-2-fluoro-3-(trifluoromethyl)benzoic acid |
CAS: |
1881295-62-0 |
Synonyms: |
5-Bromo-2-fluoro-3-(trifluoromethyl)benzoic acid; 5-Bromo-2-fluoro-3-(trifluoromethyl)benzoicacid |
IUPAC Name: | 5-bromo-2-fluoro-3-(trifluoromethyl)benzoic acid |
Description: | 5-Bromo-2-fluoro-3-(trifluoromethyl)benzoic acid |
Molecular Weight: | 287.01 |
Molecular Formula: | C8H3BrF4O2 |
Canonical SMILES: | C1=C(C=C(C(=C1C(=O)O)F)C(F)(F)F)Br |
InChI: | InChI=1S/C8H3BrF4O2/c9-3-1-4(7(14)15)6(10)5(2-3)8(11,12)13/h1-2H,(H,14,15) |
InChI Key: | ZVMUBRDZSCXJKI-UHFFFAOYSA-N |
Complexity: | 256 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 285.92525 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 285.92525 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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